#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnp n SER 2 N 0.00 -5.83 -4.32 6.12 7.64 -1.26 -5.04 113.62 110.93 1bnp n SER 2 Ca 0.00 1.42 -0.27 0.00 1.01 0.00 0.00 58.87 61.03 1bnp n SER 2 Cb 0.00 -5.34 -0.13 0.00 -1.01 0.00 0.00 64.21 57.73 1bnp n SER 2 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1bnp s LYS 3 N -1.36 1.36 0.65 1.43 2.20 -1.26 -5.15 119.74 117.61 1bnp s LYS 3 Ca -0.08 -1.17 -0.03 0.00 -0.36 0.00 0.00 55.97 54.33 1bnp s LYS 3 Cb 0.01 -1.66 0.13 0.00 -1.51 0.00 0.00 37.83 34.80 1bnp s LYS 3 CO 0.79 0.40 0.89 0.54 -0.36 0.00 0.00 175.35 177.61 1bnp n ARG 4 N 1.28 -0.19 -0.28 4.03 1.74 -1.26 -5.09 116.66 116.90 1bnp n ARG 4 Ca -0.18 -2.19 -0.08 0.00 -0.77 0.00 0.00 57.85 54.63 1bnp n ARG 4 Cb 0.53 -0.66 0.07 0.00 -1.02 0.00 0.00 32.46 31.38 1bnp n ARG 4 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1bnp n LYS 5 N -2.69 -1.63 -0.84 5.56 2.85 -1.26 -4.97 118.16 115.18 1bnp n LYS 5 Ca 0.14 -0.48 -0.31 0.00 -1.05 0.00 0.00 58.31 56.61 1bnp n LYS 5 Cb 0.49 -0.45 0.15 0.00 -0.65 0.00 0.00 35.03 34.57 1bnp n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bnp s ALA 6 N -2.97 1.63 1.00 0.58 0.00 -1.26 -5.00 121.76 115.74 1bnp s ALA 6 Ca 0.19 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1bnp s ALA 6 Cb -0.02 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1bnp s ALA 6 CO 0.15 -2.56 0.00 -0.35 0.00 0.00 0.00 175.76 173.00 1bnp n PRO 7 N -3.99 -0.33 -1.23 0.00 -0.04 -1.26 -4.97 135.00 123.18 1bnp n PRO 7 Ca 0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 1bnp n PRO 7 Cb 0.52 0.00 0.16 0.00 -0.04 0.00 0.00 33.50 34.14 1bnp n PRO 7 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1bnp s GLN 8 N -1.37 0.69 -0.04 0.54 -1.52 -1.26 -4.99 119.66 111.71 1bnp s GLN 8 Ca 0.00 0.54 0.13 0.00 -1.95 0.00 0.00 55.36 54.08 1bnp s GLN 8 Cb 0.00 -1.77 -0.20 0.00 -0.22 0.00 0.00 33.01 30.82 1bnp s GLN 8 CO 0.00 -2.56 0.25 -1.91 -0.25 0.00 0.00 175.29 170.82 1bnp n GLU 9 N -4.06 0.72 -2.60 2.91 2.13 -1.26 -5.07 120.64 113.42 1bnp n GLU 9 Ca 0.06 -0.10 -0.01 0.00 0.66 0.00 0.00 57.16 57.77 1bnp n GLU 9 Cb 0.57 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.96 1bnp n GLU 9 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1bnp n THR 10 N -2.07-10.81 -1.13 6.31 -1.04 -1.26 -5.02 114.28 99.25 1bnp n THR 10 Ca -0.06 1.52 -0.07 0.00 -2.04 0.00 0.00 64.05 63.39 1bnp n THR 10 Cb 0.47 -6.66 0.05 0.00 -1.82 0.00 0.00 70.33 62.37 1bnp n THR 10 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bnp n LEU 11 N 0.48 0.00 -0.02 -4.42 4.77 -1.26 -5.06 117.00 111.48 1bnp n LEU 11 Ca 0.02 -0.35 -0.04 0.00 -0.03 0.00 0.00 56.01 55.61 1bnp n LEU 11 Cb 0.06 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1bnp n LEU 11 CO 0.40 -0.82 -0.28 0.59 -1.33 0.00 0.00 177.39 175.96 1bnp n ASN 12 N -3.25 1.12 -1.45 -1.43 3.02 -1.26 -5.08 115.26 106.94 1bnp n ASN 12 Ca 0.04 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1bnp n ASN 12 Cb 0.14 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1bnp n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bnp n GLY 13 N 2.33 0.70 2.69 7.41 0.00 -1.26 -5.00 105.19 112.05 1bnp n GLY 13 Ca -0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1bnp n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnp n GLY 14 N -1.35 1.46 0.15 -0.02 0.00 -1.26 -4.84 105.19 99.33 1bnp n GLY 14 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 1bnp n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1bnp h ILE 15 N 2.70 0.00 -0.23 -0.61 2.04 -1.96 -2.26 117.51 117.20 1bnp h ILE 15 Ca -0.19 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1bnp h ILE 15 Cb 1.24 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1bnp h ILE 15 CO 0.21 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.44 1bnp h THR 16 N -0.82 1.10 0.31 -0.27 1.03 -1.93 -1.09 112.91 111.24 1bnp h THR 16 Ca -0.03 -0.31 -0.01 0.00 -0.01 0.00 0.00 66.41 66.04 1bnp h THR 16 Cb 0.24 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 68.16 1bnp h THR 16 CO 0.05 0.12 -0.15 0.44 -0.01 0.00 0.00 175.52 175.97 1bnp h ASP 17 N 0.31 -0.35 0.00 0.00 5.19 -1.94 -1.98 116.42 117.66 1bnp h ASP 17 Ca 0.08 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1bnp h ASP 17 Cb 0.08 0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1bnp h ASP 17 CO -0.01 -0.10 0.01 0.24 -3.12 0.00 0.00 179.24 176.26 1bnp h MET 18 N -0.71 0.00 0.13 3.56 2.86 -1.40 -0.01 114.93 119.37 1bnp h MET 18 Ca -0.04 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.31 1bnp h MET 18 Cb 0.31 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.99 1bnp h MET 18 CO 0.07 0.00 -1.24 1.25 1.06 0.00 0.00 176.91 178.05 1bnp h LEU 19 N 0.00 0.61 -1.28 1.22 6.46 -1.17 -3.02 115.31 118.13 1bnp h LEU 19 Ca 0.00 -0.61 0.00 0.00 -0.12 0.00 0.00 57.88 57.15 1bnp h LEU 19 Cb 0.02 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1bnp h LEU 19 CO 0.00 1.45 0.00 0.58 -0.62 0.00 0.00 178.44 179.85 1bnp h VAL 20 N 0.15 0.00 0.08 1.05 2.07 -0.21 -2.70 116.25 116.69 1bnp h VAL 20 Ca -0.16 -0.37 -0.22 0.00 0.82 0.00 0.00 66.70 66.77 1bnp h VAL 20 Cb 1.94 1.26 0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1bnp h VAL 20 CO 0.22 0.00 -0.90 -0.08 0.02 0.00 0.00 177.57 176.83 1bnp h GLU 21 N 0.00 0.47 -0.17 1.57 4.22 -1.32 0.58 114.58 119.93 1bnp h GLU 21 Ca 0.00 -0.61 -0.01 0.00 0.08 0.00 0.00 59.36 58.82 1bnp h GLU 21 Cb 0.42 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1bnp h GLU 21 CO 0.00 1.25 0.08 1.25 -2.18 0.00 0.00 179.01 179.40 1bnp h LEU 22 N -0.02 0.20 0.00 1.64 7.12 -1.42 0.90 115.31 123.73 1bnp h LEU 22 Ca -0.13 -0.01 -0.08 0.00 0.13 0.00 0.00 57.88 57.79 1bnp h LEU 22 Cb 1.62 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.69 1bnp h LEU 22 CO 0.17 0.18 -0.67 0.00 -0.13 0.00 0.00 178.44 177.99 1bnp h ALA 23 N 1.86 0.71 0.00 1.25 0.00 -1.42 -3.11 119.26 118.54 1bnp h ALA 23 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bnp h ALA 23 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bnp h ALA 23 CO -0.01 0.44 0.00 0.09 0.00 0.00 0.00 179.25 179.77 1bnp n ASN 24 N -3.03 0.00 -0.14 0.00 3.02 0.26 -4.11 115.26 111.26 1bnp n ASN 24 Ca -0.00 0.05 0.12 0.00 -0.03 0.00 0.00 54.58 54.72 1bnp n ASN 24 Cb 0.68 -0.31 0.22 0.00 -0.61 0.00 0.00 39.78 39.76 1bnp n ASN 24 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1bnp n PHE 25 N -1.31 0.44 -2.25 3.10 3.01 -0.91 -4.70 117.46 114.84 1bnp n PHE 25 Ca 0.09 0.51 -0.17 0.00 1.01 0.00 0.00 57.45 58.89 1bnp n PHE 25 Cb 0.16 -0.93 -0.02 0.00 -0.01 0.00 0.00 39.48 38.69 1bnp n PHE 25 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1bnp n GLU 26 N -4.11 -1.83 0.15 -1.08 -0.58 -1.26 -4.59 120.64 107.34 1bnp n GLU 26 Ca 0.15 0.85 0.00 0.00 -0.42 0.00 0.00 57.16 57.74 1bnp n GLU 26 Cb 0.49 -5.43 0.00 0.00 -0.57 0.00 0.00 31.44 25.93 1bnp n GLU 26 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1bnp n LYS 27 N -2.77 0.00 0.05 3.49 4.81 -1.26 -4.76 118.16 117.72 1bnp n LYS 27 Ca -0.20 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.28 1bnp n LYS 27 Cb 0.63 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.62 1bnp n LYS 27 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1bnp n ASN 28 N -3.23 0.85 -1.08 3.14 5.15 -1.26 -4.11 115.26 114.72 1bnp n ASN 28 Ca 0.00 0.36 -0.03 0.00 -0.60 0.00 0.00 54.58 54.31 1bnp n ASN 28 Cb 0.00 0.25 0.15 0.00 -0.53 0.00 0.00 39.78 39.64 1bnp n ASN 28 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1bnp n VAL 29 N -2.83 2.25 0.00 3.44 0.31 -1.26 -4.85 118.33 115.39 1bnp n VAL 29 Ca -0.07 -3.50 0.00 0.00 -0.01 0.00 0.00 64.34 60.76 1bnp n VAL 29 Cb 0.76 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 1bnp n VAL 29 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bnp n SER 30 N -0.95 0.00 -4.11 4.52 2.88 -1.26 -4.50 113.62 110.21 1bnp n SER 30 Ca 0.26 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.66 1bnp n SER 30 Cb 0.79 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.13 1bnp n SER 30 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1bnp s GLN 31 N 0.00 0.65 -0.70 -1.46 0.74 -1.26 -4.78 119.66 112.85 1bnp s GLN 31 Ca 0.00 -0.87 -0.02 0.00 0.05 0.00 0.00 55.36 54.52 1bnp s GLN 31 Cb 0.00 -0.48 0.00 0.00 1.10 0.00 0.00 33.01 33.64 1bnp s GLN 31 CO 0.00 0.09 0.31 0.00 -0.55 0.00 0.00 175.29 175.14 1bnp n ALA 32 N 1.29 -0.46 -2.48 1.58 0.00 -1.26 -5.01 120.51 114.17 1bnp n ALA 32 Ca -0.21 0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1bnp n ALA 32 Cb 0.55 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 1bnp n ALA 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bnp s ILE 33 N -2.86 5.00 -0.03 0.00 1.09 -1.26 -5.01 121.20 118.12 1bnp s ILE 33 Ca 0.15 0.05 0.01 0.00 -1.10 0.00 0.00 60.65 59.77 1bnp s ILE 33 Cb -0.07 -3.77 -0.03 0.00 -1.06 0.00 0.00 42.46 37.54 1bnp s ILE 33 CO 0.19 -0.44 -0.01 0.00 -0.10 0.00 0.00 174.94 174.58 1bnp n HIS 34 N -1.26 0.00 -1.29 3.97 1.44 -1.26 -4.69 115.22 112.13 1bnp n HIS 34 Ca -0.01 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.69 1bnp n HIS 34 Cb 0.54 -0.13 0.22 0.00 0.12 0.00 0.00 29.99 30.74 1bnp n HIS 34 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1bnp n LYS 35 N -2.34 2.17 0.12 -1.40 2.85 -1.26 -4.55 118.16 113.74 1bnp n LYS 35 Ca -0.05 -3.05 0.01 0.00 -1.05 0.00 0.00 58.31 54.17 1bnp n LYS 35 Cb 0.57 -1.82 -0.01 0.00 -0.65 0.00 0.00 35.03 33.12 1bnp n LYS 35 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 1bnp h TYR 36 N 1.21 0.00 0.00 5.58 3.20 -1.92 -3.15 116.97 121.89 1bnp h TYR 36 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1bnp h TYR 36 Cb 1.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.86 1bnp h TYR 36 CO 0.83 0.57 0.00 -0.91 -1.64 0.00 0.00 178.16 177.02 1bnp h ASN 37 N 0.00 0.00 -0.03 -2.11 4.21 -1.93 -2.16 115.58 113.56 1bnp h ASN 37 Ca -0.02 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.44 1bnp h ASN 37 Cb 1.46 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.65 1bnp h ASN 37 CO 0.07 0.00 -0.11 0.00 -1.29 0.00 0.00 177.43 176.10 1bnp h ALA 38 N 2.06 1.47 0.04 -0.83 0.00 -1.89 -2.22 119.26 117.89 1bnp h ALA 38 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.40 1bnp h ALA 38 Cb 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1bnp h ALA 38 CO 0.00 0.37 -1.66 1.88 0.00 0.00 0.00 179.25 179.84 1bnp h TYR 39 N 0.28 0.16 -0.10 0.00 0.05 -1.61 -3.03 116.97 112.72 1bnp h TYR 39 Ca 0.06 -0.11 -0.13 0.00 0.05 0.00 0.00 58.73 58.59 1bnp h TYR 39 Cb 0.37 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 1bnp h TYR 39 CO 0.01 1.20 -0.53 -0.09 -1.05 0.00 0.00 178.16 177.70 1bnp h ARG 40 N 0.02 0.29 0.18 4.88 9.65 -1.48 -1.73 114.38 126.20 1bnp h ARG 40 Ca -0.28 -0.17 -0.27 0.00 -1.10 0.00 0.00 59.98 58.16 1bnp h ARG 40 Cb 1.99 0.02 0.03 0.00 -1.39 0.00 0.00 29.97 30.62 1bnp h ARG 40 CO 0.10 0.74 -1.17 0.87 2.80 0.00 0.00 179.97 183.32 1bnp h LYS 41 N 0.23 0.46 -0.04 0.20 1.57 -1.54 -2.60 116.57 114.86 1bnp h LYS 41 Ca 0.01 -0.75 -0.05 0.00 -1.87 0.00 0.00 60.65 57.99 1bnp h LYS 41 Cb 1.00 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1bnp h LYS 41 CO 0.08 1.35 -0.20 0.00 -0.57 0.00 0.00 179.45 180.11 1bnp h ALA 42 N 0.15 1.60 0.00 3.86 0.00 -1.37 -1.91 119.26 121.59 1bnp h ALA 42 Ca -0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1bnp h ALA 42 Cb 1.91 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1bnp h ALA 42 CO 0.22 0.30 -0.30 0.00 0.00 0.00 0.00 179.25 179.46 1bnp h ALA 43 N 1.75 0.85 -0.12 0.00 0.00 -1.35 -1.57 119.26 118.81 1bnp h ALA 43 Ca 0.01 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1bnp h ALA 43 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bnp h ALA 43 CO 0.03 0.07 -0.66 0.77 0.00 0.00 0.00 179.25 179.45 1bnp h SER 44 N 0.00 0.54 0.66 0.00 0.02 -0.94 -2.09 113.55 111.74 1bnp h SER 44 Ca -0.00 -0.33 -0.18 0.00 -0.84 0.00 0.00 61.79 60.43 1bnp h SER 44 Cb 1.04 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 1bnp h SER 44 CO 0.01 1.06 -1.47 0.55 -1.14 0.00 0.00 176.83 175.83 1bnp n VAL 45 N -3.89 1.22 0.11 2.27 3.14 -1.11 -3.77 118.33 116.30 1bnp n VAL 45 Ca -0.04 -0.70 -0.08 0.00 -2.96 0.00 0.00 64.34 60.55 1bnp n VAL 45 Cb 0.67 -0.75 -0.05 0.00 -1.06 0.00 0.00 33.84 32.64 1bnp n VAL 45 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1bnp h ILE 46 N 0.00 0.33 -0.89 1.55 2.04 -1.28 -2.06 117.51 117.21 1bnp h ILE 46 Ca -0.18 -0.87 0.12 0.00 1.00 0.00 0.00 64.86 64.94 1bnp h ILE 46 Cb 1.63 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 1bnp h ILE 46 CO 0.05 0.09 0.57 0.00 0.00 0.00 0.00 178.15 178.86 1bnp h ALA 47 N -0.81 1.75 -0.26 1.87 0.00 -1.58 0.29 119.26 120.52 1bnp h ALA 47 Ca -0.04 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1bnp h ALA 47 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1bnp h ALA 47 CO 0.06 0.03 -0.34 0.87 0.00 0.00 0.00 179.25 179.88 1bnp h LYS 48 N 0.77 0.57 -6.88 0.00 1.79 -1.65 -3.44 116.57 107.73 1bnp h LYS 48 Ca 0.43 -0.26 -0.55 0.00 -2.18 0.00 0.00 60.65 58.10 1bnp h LYS 48 Cb 0.59 -0.01 0.19 0.00 -1.58 0.00 0.00 32.23 31.42 1bnp h LYS 48 CO -0.20 0.83 -0.14 0.98 -1.08 0.00 0.00 179.45 179.84 1bnp n TYR 49 N -4.06 -0.08 0.15 -1.35 9.36 0.10 -4.82 117.16 116.46 1bnp n TYR 49 Ca -0.01 0.35 0.02 0.00 3.32 0.00 0.00 57.90 61.58 1bnp n TYR 49 Cb 0.47 -1.98 0.09 0.00 -0.63 0.00 0.00 39.34 37.30 1bnp n TYR 49 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1bnp n PRO 50 N -1.77 0.01 -0.26 2.98 -0.02 -1.26 -4.96 135.00 129.72 1bnp n PRO 50 Ca 0.11 0.40 0.03 0.00 -2.02 0.00 0.00 63.50 62.02 1bnp n PRO 50 Cb 0.51 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.47 1bnp n PRO 50 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bnp n HIS 51 N -1.46 -0.68 -2.39 6.00 8.25 -1.26 -5.05 115.22 118.63 1bnp n HIS 51 Ca 0.01 0.36 -0.01 0.00 -0.26 0.00 0.00 57.72 57.83 1bnp n HIS 51 Cb 0.04 -0.62 -0.01 0.00 1.12 0.00 0.00 29.99 30.53 1bnp n HIS 51 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bnp n LYS 52 N -2.63 -4.93 -4.69 -0.41 4.81 -1.26 -4.99 118.16 104.06 1bnp n LYS 52 Ca -0.01 3.59 -0.23 0.00 -0.87 0.00 0.00 58.31 60.79 1bnp n LYS 52 Cb 0.12 -4.62 -0.15 0.00 0.02 0.00 0.00 35.03 30.40 1bnp n LYS 52 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 1bnp s ILE 53 N -0.59 1.27 0.00 3.15 -4.36 -1.26 -5.02 121.20 114.40 1bnp s ILE 53 Ca -0.04 -0.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 1bnp s ILE 53 Cb 0.00 -1.07 0.00 0.00 1.25 0.00 0.00 42.46 42.64 1bnp s ILE 53 CO 0.12 0.30 0.00 0.29 0.24 0.00 0.00 174.94 175.88 1bnp n LYS 54 N 2.51 0.00 -2.34 0.37 5.02 -1.26 -4.92 118.16 117.54 1bnp n LYS 54 Ca -0.15 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.00 1bnp n LYS 54 Cb 0.54 -0.64 -0.01 0.00 -0.02 0.00 0.00 35.03 34.90 1bnp n LYS 54 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1bnp s SER 55 N -2.55 6.02 0.51 4.39 0.15 -1.26 -4.92 113.70 116.04 1bnp s SER 55 Ca 0.00 1.97 0.29 0.00 0.70 0.00 0.00 55.95 58.91 1bnp s SER 55 Cb 0.00 -2.56 1.29 0.00 -1.71 0.00 0.00 66.02 63.04 1bnp s SER 55 CO 0.00 -1.01 1.97 1.23 1.20 0.00 0.00 173.24 176.64 1bnp h GLY 56 N 1.17 0.00 1.64 9.45 0.00 -2.00 -2.77 103.07 110.56 1bnp h GLY 56 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.87 1bnp h GLY 56 CO 0.58 0.00 0.15 0.00 0.00 0.00 0.00 176.54 177.27 1bnp h ALA 57 N 1.88 1.62 0.78 3.60 0.00 -1.98 -2.29 119.26 122.88 1bnp h ALA 57 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1bnp h ALA 57 Cb 0.52 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1bnp h ALA 57 CO 0.02 -0.20 -0.39 0.93 0.00 0.00 0.00 179.25 179.60 1bnp h GLU 58 N 0.00 -1.03 0.00 0.00 4.39 -1.88 -1.83 114.58 114.23 1bnp h GLU 58 Ca 0.05 0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1bnp h GLU 58 Cb 0.35 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1bnp h GLU 58 CO -0.00 -0.69 -0.05 0.00 -1.16 0.00 0.00 179.01 177.12 1bnp h ALA 59 N -1.46 1.10 0.00 3.43 0.00 -1.71 -2.04 119.26 118.58 1bnp h ALA 59 Ca -0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1bnp h ALA 59 Cb 0.83 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1bnp h ALA 59 CO 0.16 0.06 -0.37 -0.22 0.00 0.00 0.00 179.25 178.88 1bnp h LYS 60 N 0.00 0.00 0.00 0.00 1.63 -0.95 -3.05 116.57 114.19 1bnp h LYS 60 Ca -0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1bnp h LYS 60 Cb 0.30 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1bnp h LYS 60 CO 0.01 0.37 -1.25 0.36 -3.45 0.00 0.00 179.45 175.49 1bnp n LYS 61 N -3.59 0.62 -1.56 1.90 2.85 -0.73 -4.85 118.16 112.80 1bnp n LYS 61 Ca -0.00 0.15 -0.46 0.00 -1.05 0.00 0.00 58.31 56.94 1bnp n LYS 61 Cb 0.49 -1.80 -0.05 0.00 -0.65 0.00 0.00 35.03 33.02 1bnp n LYS 61 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1bnp n LEU 62 N -2.75 2.91 -4.56 -5.58 4.77 -1.10 -4.81 117.00 105.88 1bnp n LEU 62 Ca -0.05 0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 56.10 1bnp n LEU 62 Cb 0.69 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.29 1bnp n LEU 62 CO 0.42 -0.60 1.44 -2.16 -1.33 0.00 0.00 177.39 175.15 1bnp s PRO 63 N 5.99 1.93 0.00 3.23 0.04 -1.26 -2.06 135.00 142.86 1bnp s PRO 63 Ca 1.03 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1bnp s PRO 63 Cb -0.57 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1bnp s PRO 63 CO 0.42 -3.91 0.00 0.41 0.04 0.00 0.00 177.00 173.96 1bnp n GLY 64 N 6.57 1.61 3.98 0.56 0.00 -1.26 -4.73 105.19 111.92 1bnp n GLY 64 Ca 0.42 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 1bnp n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bnp s VAL 65 N 0.00 3.27 0.00 1.61 1.01 -0.88 -2.68 120.40 122.74 1bnp s VAL 65 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1bnp s VAL 65 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1bnp s VAL 65 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1bnp n GLY 66 N -2.07 2.93 2.71 4.51 0.00 -1.26 -4.87 105.19 107.13 1bnp n GLY 66 Ca 0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.09 1bnp n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bnp n THR 67 N -0.03-11.26 0.00 2.61 -1.04 -1.26 -3.95 114.28 99.35 1bnp n THR 67 Ca 0.00 1.42 0.00 0.00 -2.04 0.00 0.00 64.05 63.43 1bnp n THR 67 Cb 0.00 -6.94 0.00 0.00 -1.82 0.00 0.00 70.33 61.57 1bnp n THR 67 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1bnp n LYS 68 N 0.30 0.00 -0.27 -2.82 3.00 -1.26 -4.55 118.16 112.56 1bnp n LYS 68 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1bnp n LYS 68 Cb 0.17 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.41 1bnp n LYS 68 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1bnp h ILE 69 N 0.00 1.19 -0.16 3.15 5.03 -1.90 -1.57 117.51 123.26 1bnp h ILE 69 Ca 0.00 -0.38 0.04 0.00 -0.12 0.00 0.00 64.86 64.40 1bnp h ILE 69 Cb 0.00 -0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 33.77 1bnp h ILE 69 CO 0.00 0.20 0.11 0.00 -0.68 0.00 0.00 178.15 177.79 1bnp h ALA 70 N 1.49 2.09 -0.73 1.87 0.00 -1.80 -1.25 119.26 120.93 1bnp h ALA 70 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1bnp h ALA 70 Cb -0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1bnp h ALA 70 CO -0.08 -0.13 0.47 1.49 0.00 0.00 0.00 179.25 181.00 1bnp h GLU 71 N 0.05 0.97 0.00 0.00 4.81 -1.65 -1.42 114.58 117.34 1bnp h GLU 71 Ca 0.07 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 1bnp h GLU 71 Cb 0.24 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1bnp h GLU 71 CO -0.01 0.66 -0.62 0.87 -0.73 0.00 0.00 179.01 179.18 1bnp h LYS 72 N 1.00 0.00 0.62 1.92 6.56 -1.31 -2.51 116.57 122.83 1bnp h LYS 72 Ca 0.27 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.83 1bnp h LYS 72 Cb -0.09 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.58 1bnp h LYS 72 CO -0.05 0.62 -0.30 0.82 -2.06 0.00 0.00 179.45 178.48 1bnp h ILE 73 N 0.00 0.30 0.00 1.86 1.08 -0.99 -2.04 117.51 117.72 1bnp h ILE 73 Ca -0.01 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1bnp h ILE 73 Cb 1.28 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.41 1bnp h ILE 73 CO 0.08 0.03 -0.11 -0.78 -0.69 0.00 0.00 178.15 176.67 1bnp h ASP 74 N -1.00 0.00 -0.57 1.72 1.82 -1.54 -1.73 116.42 115.12 1bnp h ASP 74 Ca -0.08 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.53 1bnp h ASP 74 Cb 0.68 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.66 1bnp h ASP 74 CO 0.14 0.11 0.25 -0.08 -1.61 0.00 0.00 179.24 178.06 1bnp h GLU 75 N 0.00 0.87 -0.07 0.28 4.81 -1.09 0.84 114.58 120.23 1bnp h GLU 75 Ca -0.00 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1bnp h GLU 75 Cb 0.23 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1bnp h GLU 75 CO 0.01 0.71 0.03 0.74 -0.73 0.00 0.00 179.01 179.77 1bnp h PHE 76 N 0.86 0.10 -0.40 0.92 0.04 -0.60 -2.70 116.94 115.17 1bnp h PHE 76 Ca 0.21 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1bnp h PHE 76 Cb 0.15 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1bnp h PHE 76 CO 0.01 0.19 0.00 1.28 -0.60 0.00 0.00 178.31 179.19 1bnp n LEU 77 N -4.97 2.37 -0.70 1.54 4.77 -1.01 -4.00 117.00 114.99 1bnp n LEU 77 Ca -0.06 -1.14 0.08 0.00 -0.03 0.00 0.00 56.01 54.85 1bnp n LEU 77 Cb 0.09 -0.26 0.23 0.00 -2.33 0.00 0.00 43.42 41.14 1bnp n LEU 77 CO 0.34 0.57 0.68 0.00 -1.33 0.00 0.00 177.39 177.65 1bnp n ALA 78 N 0.79 2.46 -2.88 -1.18 0.00 0.29 -4.69 120.51 115.28 1bnp n ALA 78 Ca 0.16 -0.66 -0.44 0.00 0.00 0.00 0.00 53.44 52.50 1bnp n ALA 78 Cb 0.39 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 1bnp n ALA 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bnp s THR 79 N -1.55 4.78 0.00 0.00 2.01 -1.26 -4.41 115.64 115.21 1bnp s THR 79 Ca 0.28 -2.10 0.00 0.00 0.31 0.00 0.00 61.69 60.18 1bnp s THR 79 Cb 0.15 -4.90 0.00 0.00 0.01 0.00 0.00 72.50 67.76 1bnp s THR 79 CO 0.20 -1.64 0.00 0.61 -0.69 0.00 0.00 174.62 173.11 1bnp n GLY 80 N 4.86 0.68 1.76 4.40 0.00 -1.26 -5.11 105.19 110.52 1bnp n GLY 80 Ca 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 1bnp n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bnp n LYS 81 N 0.00 0.50 -2.76 1.61 2.85 -1.26 -5.08 118.16 114.02 1bnp n LYS 81 Ca 0.00 -1.12 -0.02 0.00 -1.05 0.00 0.00 58.31 56.12 1bnp n LYS 81 Cb 0.00 1.32 0.08 0.00 -0.65 0.00 0.00 35.03 35.78 1bnp n LYS 81 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1bnp n LEU 82 N 0.00 0.28 -1.48 -5.58 -0.00 -1.26 -4.72 117.00 104.24 1bnp n LEU 82 Ca -0.03 -3.17 0.18 0.00 -0.00 0.00 0.00 56.01 52.99 1bnp n LEU 82 Cb 0.28 0.31 -0.08 0.00 -0.00 0.00 0.00 43.42 43.93 1bnp n LEU 82 CO 0.13 1.37 -0.57 0.54 -0.00 0.00 0.00 177.39 178.87 1bnp n ARG 83 N -0.90 -3.32 -2.07 1.47 5.12 -1.26 -4.87 116.66 110.84 1bnp n ARG 83 Ca -0.02 2.61 -0.28 0.00 -1.93 0.00 0.00 57.85 58.22 1bnp n ARG 83 Cb 0.83 -3.91 0.06 0.00 -1.16 0.00 0.00 32.46 28.28 1bnp n ARG 83 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1bnp s LYS 84 N -3.83 2.44 -0.20 5.56 1.02 -1.26 -5.10 119.74 118.38 1bnp s LYS 84 Ca 0.00 0.09 -0.27 0.00 0.02 0.00 0.00 55.97 55.80 1bnp s LYS 84 Cb 0.00 -2.09 0.10 0.00 -0.52 0.00 0.00 37.83 35.32 1bnp s LYS 84 CO 0.00 -1.18 0.86 -0.48 -0.92 0.00 0.00 175.35 173.62 1bnp s LEU 85 N -5.32 -0.56 -1.53 3.17 0.05 -1.26 -4.94 118.68 108.28 1bnp s LEU 85 Ca 0.59 0.90 -0.05 0.00 0.05 0.00 0.00 54.13 55.61 1bnp s LEU 85 Cb -0.11 2.19 0.01 0.00 -2.05 0.00 0.00 46.19 46.23 1bnp s LEU 85 CO 0.48 -0.32 0.69 -0.62 -0.55 0.00 0.00 176.35 176.02 1bnp n GLU 86 N 1.73 -5.29 0.00 1.48 1.02 -1.26 -5.29 120.64 113.04 1bnp n GLU 86 Ca -0.14 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1bnp n GLU 86 Cb 0.56 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 26.20 1bnp n GLU 86 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48